6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one

C14H18N2O5 — CID 135409305

IUPAC6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
SMILESCOCCOc1cc2nc[nH]c(=O)c2cc1OCCOC
InChIInChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyPMQWTUWLIGJTQD-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.97
Rot. Bonds8

About 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one

6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one (PubChem CID 135409305) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
PubChem CID135409305
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
SMILESCOCCOc1cc2nc[nH]c(=O)c2cc1OCCOC
InChIInChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyPMQWTUWLIGJTQD-UHFFFAOYSA-N
XLogP0.97
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
7-Benzyloxy-6-methoxy-3H-quinazolin-4-one
CID 135404718
7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-one
CID 135399673
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 2810066
3-Amino-2-cyclobutyl-6,7-dimethoxy-3H-quinazolin-4-one
CID 6488201
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 652324
(6aS)-2-methoxy-3-(oxiran-2-ylmethoxy)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 10380177
(6aS)-2-methoxy-3-prop-2-enoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 10541198
6,7-Dimethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-one
CID 118722443
6,7-Dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one
CID 118722446
6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-quinazolin-4-one
CID 135415476

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one (CID 135409305) is 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one is COCCOc1cc2nc[nH]c(=O)c2cc1OCCOC.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
The InChIKey is PMQWTUWLIGJTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one has a molecular weight of 294.31 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 135409305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).